N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide

C18H17ClN2O — CID 163235831

IUPACN-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1Cc2ccccc2N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17ClN2O/c1-2-18(22)20-15-11-13-5-3-4-6-17(13)21(12-15)16-9-7-14(19)8-10-16/h2-10,15H,1,11-12H2,(H,20,22)
InChIKeyDUJTZNHYYWXEIO-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.70
Rot. Bonds3

About N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide

N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide (PubChem CID 163235831) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
PubChem CID163235831
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1Cc2ccccc2N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17ClN2O/c1-2-18(22)20-15-11-13-5-3-4-6-17(13)21(12-15)16-9-7-14(19)8-10-16/h2-10,15H,1,11-12H2,(H,20,22)
InChIKeyDUJTZNHYYWXEIO-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235851
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7549116
[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate
CID 175464845
N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235834
(E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 178187837
N-[5-cyano-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235790
2-[(3R)-3-(prop-2-enoylamino)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]acetic acid
CID 175994010
N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
CID 170679886
tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine
CID 161187863
N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235786
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 7255580
3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid
CID 163236033

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide (CID 163235831) is N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide is C=CC(=O)NC1Cc2ccccc2N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
The InChIKey is DUJTZNHYYWXEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-2-18(22)20-15-11-13-5-3-4-6-17(13)21(12-15)16-9-7-14(19)8-10-16/h2-10,15H,1,11-12H2,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide has a molecular weight of 312.80 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide is sourced from PubChem (CID 163235831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).